1-(2,3-dihydroindol-1-yl)-2-[[3-(3-methylphenyl)-1H-imidazol-3-ium-2-yl]sulfanyl]ethanone

Systemtic Name: 1-(2,3-dihydroindol-1-yl)-2-[[3-(3-methylphenyl)-1H-imidazol-3-ium-2-yl]sulfanyl]ethanone Openeye Name: 1-indolin-1-yl-2-[[3-(m-tolyl)-1H-imidazol-3-ium-2-yl]sulfanyl]ethanone CAS Name: 1-(2,3-dihydroindol-1-yl)-2-[[3-(3-methylphenyl)-1H-imidazol-3-ium-2-yl]thio]ethanone IUPAC Name: 1-(2,3-dihydroindol-1-yl)-2-[[3-(3-methylphenyl)-1H-imidazol-3-ium-2-yl]sulfanyl]ethanone Traditional Name: 1-indolin-1-yl-2-[[3-(m-tolyl)-1H-imidazol-3-ium-2-yl]thio]ethanone Formula: C20H20N3OS+ MolecularWeight: 350.4573

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)[N+]2=C(NC=C2)SCC(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=CC=C1)[N+]2=C(NC=C2)SCC(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C20H19N3OS/c1-15-5-4-7-17(13-15)22-12-10-21-20(22)25-14-19(24)23-11-9-16-6-2-3-8-18(16)23/h2-8,10,12-13H,9,11,14H2,1H3/p+1